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wfl eval ace fails #193

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bernstei opened this issue Dec 1, 2022 · 1 comment · May be fixed by #241
Open

wfl eval ace fails #193

bernstei opened this issue Dec 1, 2022 · 1 comment · May be fixed by #241

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@bernstei
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bernstei commented Dec 1, 2022

Looks like all the machine learning potential wfl eval * functions are missing the context function argument, e.g. https://github.com/libAtoms/workflow/blob/main/wfl/cli/commands/eval.py#L45
@bernstei
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bernstei commented Dec 1, 2022

I guess we can use a pytest of wfl eval.

@gelzinyte gelzinyte linked a pull request Apr 7, 2023 that will close this issue
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Some cli renames libAtoms/workflow
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@bernstei